- InChI
- InChI=1S/C11H22O/c1-10(2)6-5-7-11(3)8-9-12-4/h6,11H,5,7-9H2,1-4H3
- InChI Key
- QUGQATRJSUHGGA-UHFFFAOYSA-N
- Formula
- C11H22O
- SMILES
- COCCC(C)CCC=C(C)C
- Molecular Weight1
- 170.29
- Other Names
-
- Methyl citronellol
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-polar retention indices.
- I : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfG° | 5.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -300.44 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 20.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.14 | kJ/mol | Joback Calculated Property |
| log10WS | -3.13 | Crippen Calculated Property | |
| logPoct/wat | 3.405 | Crippen Calculated Property | |
| McVol | 167.420 | ml/mol | McGowan Calculated Property |
| Pc | 2018.13 | kPa | Joback Calculated Property |
| Inp | [1174.70; 1220.00] |
|
|
| Inp | 1174.70 | NIST | |
| Inp | 1220.00 | NIST | |
| Inp | 1174.70 | NIST | |
| Inp | 1220.00 | NIST | |
| I | [1540.00; 1540.00] |
|
|
| I | 1540.00 | NIST | |
| I | 1540.00 | NIST | |
| Tboil | 477.10 | K | Joback Calculated Property |
| Tc | 652.55 | K | Joback Calculated Property |
| Tfus | 201.92 | K | Joback Calculated Property |
| Vc | 0.644 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [371.89; 459.00] | J/mol×K | [477.10; 652.55] |
|
| Cp,gas | 371.89 | J/mol×K | 477.10 | Joback Calculated Property |
| Cp,gas | 387.98 | J/mol×K | 506.34 | Joback Calculated Property |
| Cp,gas | 403.42 | J/mol×K | 535.58 | Joback Calculated Property |
| Cp,gas | 418.22 | J/mol×K | 564.82 | Joback Calculated Property |
| Cp,gas | 432.41 | J/mol×K | 594.07 | Joback Calculated Property |
| Cp,gas | 446.00 | J/mol×K | 623.31 | Joback Calculated Property |
| Cp,gas | 459.00 | J/mol×K | 652.55 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to «beta»-Citronellol, methyl ether.
Sources
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